PW7
概要
| 表記: | 4-(trifluoromethyl)pyrimidin-2-amine |
| 組成式: | C5 H4 F3 N3 |
| 電荷: | 0 |
| 化学式量: | 163.101 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 4-(trifluoromethyl)pyrimidin-2-amine |
| OpenEye OEToolkits | 2.0.6 | 4-(trifluoromethyl)pyrimidin-2-amine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Nc1nc(ccn1)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11) |
| InChIKey | InChI | 1.03 | NKOTXYPTXKUCDL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nccc(n1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1nccc(n1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1C(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(nc1C(F)(F)F)N |
